3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C15H26N4O — CID 103358998

IUPAC3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(C)(O)C2)nc(CCC)n1
InChIInChI=1S/C15H26N4O/c1-4-6-12-17-13(16-8-5-2)10-14(18-12)19-9-7-15(3,20)11-19/h10,20H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyCFNNEWSUNMIQCH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds6

About 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 103358998) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID103358998
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(C)(O)C2)nc(CCC)n1
InChIInChI=1S/C15H26N4O/c1-4-6-12-17-13(16-8-5-2)10-14(18-12)19-9-7-15(3,20)11-19/h10,20H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyCFNNEWSUNMIQCH-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
N-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 107396346
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943776
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
3-methyl-1-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-ol
CID 103358921
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322365
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 103358998) is 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1cc(N2CCC(C)(O)C2)nc(CCC)n1.
What is the InChIKey of 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is CFNNEWSUNMIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-12-17-13(16-8-5-2)10-14(18-12)19-9-7-15(3,20)11-19/h10,20H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 278.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103358998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).